USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 CYS SG : rot -153:sc= -0.0142 USER MOD Set 1.2: A 137 CYS SG : rot -123:sc= -3.38 USER MOD Set 1.3: A 150 HIS : no HE2:sc= 0.403 K(o=-9.9,f=-18!) USER MOD Set 1.4: A 155 HIS : no HE2:sc= -6.94! C(o=-9.9!,f=-9.7!) USER MOD Set 2.1: A 106 CYS SG : rot 70:sc= -0.0113 USER MOD Set 2.2: A 109 CYS SG : rot -153:sc= -0.998 USER MOD Set 2.3: A 122 HIS : no HD1:sc= 0.483 K(o=0.36,f=-15!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= 0.883 K(o=0.36,f=-7.6!) USER MOD Single : A 110 THR OG1 : rot 4:sc= 0.39! USER MOD Single : A 116 GLN : amide:sc= -0.986 K(o=-0.99,f=-2.2) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 120 LYS NZ :NH3+ -142:sc= -0.247 (180deg=-1.49) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.23) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -34.449 17.676 28.000 1.00 0.00 N ATOM 37 CA PHE A 104 -33.758 16.633 27.193 1.00 0.00 C ATOM 38 C PHE A 104 -32.264 16.669 27.507 1.00 0.00 C ATOM 39 O PHE A 104 -31.488 17.312 26.827 1.00 0.00 O ATOM 40 CB PHE A 104 -33.980 16.904 25.704 1.00 0.00 C ATOM 41 CG PHE A 104 -35.411 16.584 25.344 1.00 0.00 C ATOM 42 CD1 PHE A 104 -36.396 17.574 25.445 1.00 0.00 C ATOM 43 CD2 PHE A 104 -35.753 15.297 24.910 1.00 0.00 C ATOM 44 CE1 PHE A 104 -37.723 17.276 25.112 1.00 0.00 C ATOM 45 CE2 PHE A 104 -37.080 15.000 24.577 1.00 0.00 C ATOM 46 CZ PHE A 104 -38.065 15.990 24.678 1.00 0.00 C ATOM 0 HA PHE A 104 -34.160 15.650 27.439 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -33.761 17.947 25.476 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -33.299 16.297 25.107 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -36.132 18.567 25.779 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -34.993 14.534 24.832 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -38.483 18.039 25.190 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -37.344 14.008 24.242 1.00 0.00 H new ATOM 0 HZ PHE A 104 -39.089 15.761 24.421 1.00 0.00 H new ATOM 56 N VAL A 105 -31.863 15.978 28.539 1.00 0.00 N ATOM 57 CA VAL A 105 -30.419 15.955 28.925 1.00 0.00 C ATOM 58 C VAL A 105 -29.776 14.684 28.355 1.00 0.00 C ATOM 59 O VAL A 105 -30.320 13.600 28.452 1.00 0.00 O ATOM 60 CB VAL A 105 -30.281 16.017 30.472 1.00 0.00 C ATOM 61 CG1 VAL A 105 -31.308 15.097 31.141 1.00 0.00 C ATOM 62 CG2 VAL A 105 -28.870 15.601 30.922 1.00 0.00 C ATOM 0 H VAL A 105 -32.476 15.424 29.137 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.904 16.824 28.514 1.00 0.00 H new ATOM 0 HB VAL A 105 -30.460 17.049 30.774 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -31.196 15.154 32.224 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -32.314 15.412 30.863 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -31.145 14.070 30.813 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.804 15.654 32.009 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.670 14.580 30.596 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -28.134 16.273 30.480 1.00 0.00 H new ATOM 72 N CYS A 106 -28.616 14.822 27.765 1.00 0.00 N ATOM 73 CA CYS A 106 -27.916 13.641 27.183 1.00 0.00 C ATOM 74 C CYS A 106 -27.586 12.646 28.297 1.00 0.00 C ATOM 75 O CYS A 106 -27.247 13.027 29.401 1.00 0.00 O ATOM 76 CB CYS A 106 -26.622 14.102 26.506 1.00 0.00 C ATOM 77 SG CYS A 106 -25.871 12.713 25.621 1.00 0.00 S ATOM 0 H CYS A 106 -28.122 15.708 27.662 1.00 0.00 H new ATOM 0 HA CYS A 106 -28.559 13.159 26.447 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -26.833 14.917 25.813 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -25.928 14.489 27.252 1.00 0.00 H new ATOM 0 HG CYS A 106 -26.599 12.413 24.586 1.00 0.00 H new ATOM 82 N GLU A 107 -27.685 11.371 28.013 1.00 0.00 N ATOM 83 CA GLU A 107 -27.383 10.339 29.050 1.00 0.00 C ATOM 84 C GLU A 107 -25.906 9.931 28.985 1.00 0.00 C ATOM 85 O GLU A 107 -25.544 8.846 29.404 1.00 0.00 O ATOM 86 CB GLU A 107 -28.260 9.109 28.807 1.00 0.00 C ATOM 87 CG GLU A 107 -29.730 9.530 28.755 1.00 0.00 C ATOM 88 CD GLU A 107 -30.618 8.285 28.711 1.00 0.00 C ATOM 89 OE1 GLU A 107 -30.236 7.333 28.049 1.00 0.00 O ATOM 90 OE2 GLU A 107 -31.663 8.305 29.340 1.00 0.00 O ATOM 0 H GLU A 107 -27.963 11.000 27.104 1.00 0.00 H new ATOM 0 HA GLU A 107 -27.590 10.756 30.036 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -27.976 8.626 27.872 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -28.108 8.379 29.602 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -29.977 10.135 29.628 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -29.911 10.149 27.877 1.00 0.00 H new ATOM 97 N VAL A 108 -25.050 10.779 28.466 1.00 0.00 N ATOM 98 CA VAL A 108 -23.602 10.424 28.380 1.00 0.00 C ATOM 99 C VAL A 108 -22.760 11.537 29.003 1.00 0.00 C ATOM 100 O VAL A 108 -21.860 11.281 29.781 1.00 0.00 O ATOM 101 CB VAL A 108 -23.204 10.242 26.913 1.00 0.00 C ATOM 102 CG1 VAL A 108 -21.770 9.716 26.833 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.150 9.238 26.249 1.00 0.00 C ATOM 0 H VAL A 108 -25.293 11.699 28.100 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.428 9.494 28.921 1.00 0.00 H new ATOM 0 HB VAL A 108 -23.269 11.201 26.399 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -21.488 9.587 25.788 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -21.094 10.428 27.306 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -21.705 8.757 27.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -23.867 9.108 25.204 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -24.084 8.280 26.765 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.173 9.610 26.304 1.00 0.00 H new ATOM 113 N CYS A 109 -23.048 12.769 28.670 1.00 0.00 N ATOM 114 CA CYS A 109 -22.265 13.903 29.246 1.00 0.00 C ATOM 115 C CYS A 109 -23.149 14.748 30.172 1.00 0.00 C ATOM 116 O CYS A 109 -22.762 15.825 30.582 1.00 0.00 O ATOM 117 CB CYS A 109 -21.724 14.781 28.113 1.00 0.00 C ATOM 118 SG CYS A 109 -23.087 15.328 27.053 1.00 0.00 S ATOM 0 H CYS A 109 -23.791 13.038 28.025 1.00 0.00 H new ATOM 0 HA CYS A 109 -21.435 13.498 29.825 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -21.204 15.645 28.527 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -20.996 14.223 27.525 1.00 0.00 H new ATOM 0 HG CYS A 109 -22.639 15.559 25.855 1.00 0.00 H new ATOM 123 N THR A 110 -24.332 14.272 30.512 1.00 0.00 N ATOM 124 CA THR A 110 -25.245 15.050 31.420 1.00 0.00 C ATOM 125 C THR A 110 -25.379 16.501 30.928 1.00 0.00 C ATOM 126 O THR A 110 -25.202 17.443 31.681 1.00 0.00 O ATOM 127 CB THR A 110 -24.690 15.037 32.853 1.00 0.00 C ATOM 128 OG1 THR A 110 -23.535 15.859 32.924 1.00 0.00 O ATOM 129 CG2 THR A 110 -24.324 13.605 33.266 1.00 0.00 C ATOM 0 H THR A 110 -24.704 13.376 30.198 1.00 0.00 H new ATOM 0 HA THR A 110 -26.230 14.583 31.410 1.00 0.00 H new ATOM 0 HB THR A 110 -25.454 15.419 33.531 1.00 0.00 H new ATOM 0 HG1 THR A 110 -23.395 16.301 32.061 1.00 0.00 H new ATOM 0 HG21 THR A 110 -23.932 13.609 34.283 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.213 12.975 33.222 1.00 0.00 H new ATOM 0 HG23 THR A 110 -23.567 13.213 32.587 1.00 0.00 H new ATOM 137 N ARG A 111 -25.685 16.680 29.669 1.00 0.00 N ATOM 138 CA ARG A 111 -25.827 18.059 29.115 1.00 0.00 C ATOM 139 C ARG A 111 -27.234 18.583 29.415 1.00 0.00 C ATOM 140 O ARG A 111 -27.915 18.075 30.284 1.00 0.00 O ATOM 141 CB ARG A 111 -25.595 18.022 27.599 1.00 0.00 C ATOM 142 CG ARG A 111 -24.786 19.250 27.170 1.00 0.00 C ATOM 143 CD ARG A 111 -23.305 19.023 27.480 1.00 0.00 C ATOM 144 NE ARG A 111 -22.967 19.663 28.784 1.00 0.00 N ATOM 145 CZ ARG A 111 -22.934 20.963 28.884 1.00 0.00 C ATOM 146 NH1 ARG A 111 -22.274 21.669 28.005 1.00 0.00 N ATOM 147 NH2 ARG A 111 -23.560 21.560 29.862 1.00 0.00 N ATOM 0 H ARG A 111 -25.843 15.928 28.999 1.00 0.00 H new ATOM 0 HA ARG A 111 -25.093 18.720 29.575 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -25.064 17.111 27.325 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -26.551 18.003 27.076 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -24.921 19.433 26.104 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -25.146 20.136 27.693 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -23.090 17.955 27.520 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.688 19.443 26.686 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.762 19.084 29.598 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.785 21.204 27.241 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.248 22.686 28.083 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -24.076 21.010 30.549 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.533 22.577 29.939 1.00 0.00 H new ATOM 161 N ALA A 112 -27.673 19.594 28.708 1.00 0.00 N ATOM 162 CA ALA A 112 -29.035 20.144 28.958 1.00 0.00 C ATOM 163 C ALA A 112 -29.601 20.738 27.666 1.00 0.00 C ATOM 164 O ALA A 112 -29.045 21.661 27.102 1.00 0.00 O ATOM 165 CB ALA A 112 -28.957 21.234 30.030 1.00 0.00 C ATOM 0 H ALA A 112 -27.146 20.060 27.970 1.00 0.00 H new ATOM 0 HA ALA A 112 -29.688 19.341 29.300 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -29.953 21.636 30.213 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -28.562 20.809 30.953 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -28.300 22.034 29.689 1.00 0.00 H new ATOM 171 N PHE A 113 -30.708 20.217 27.202 1.00 0.00 N ATOM 172 CA PHE A 113 -31.327 20.748 25.952 1.00 0.00 C ATOM 173 C PHE A 113 -32.806 21.040 26.212 1.00 0.00 C ATOM 174 O PHE A 113 -33.292 20.879 27.317 1.00 0.00 O ATOM 175 CB PHE A 113 -31.199 19.712 24.833 1.00 0.00 C ATOM 176 CG PHE A 113 -29.738 19.489 24.516 1.00 0.00 C ATOM 177 CD1 PHE A 113 -29.063 20.376 23.668 1.00 0.00 C ATOM 178 CD2 PHE A 113 -29.059 18.398 25.071 1.00 0.00 C ATOM 179 CE1 PHE A 113 -27.709 20.170 23.374 1.00 0.00 C ATOM 180 CE2 PHE A 113 -27.706 18.192 24.777 1.00 0.00 C ATOM 181 CZ PHE A 113 -27.031 19.077 23.929 1.00 0.00 C ATOM 0 H PHE A 113 -31.211 19.444 27.637 1.00 0.00 H new ATOM 0 HA PHE A 113 -30.818 21.664 25.652 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -31.663 18.774 25.137 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -31.727 20.055 23.943 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -29.586 21.219 23.241 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -29.579 17.715 25.726 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -27.188 20.853 22.720 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -27.183 17.350 25.205 1.00 0.00 H new ATOM 0 HZ PHE A 113 -25.987 18.917 23.702 1.00 0.00 H new ATOM 191 N ALA A 114 -33.524 21.471 25.206 1.00 0.00 N ATOM 192 CA ALA A 114 -34.973 21.780 25.394 1.00 0.00 C ATOM 193 C ALA A 114 -35.817 20.883 24.485 1.00 0.00 C ATOM 194 O ALA A 114 -36.898 20.460 24.853 1.00 0.00 O ATOM 195 CB ALA A 114 -35.230 23.246 25.045 1.00 0.00 C ATOM 0 H ALA A 114 -33.169 21.622 24.262 1.00 0.00 H new ATOM 0 HA ALA A 114 -35.248 21.598 26.433 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -36.287 23.473 25.182 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -34.635 23.885 25.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -34.952 23.427 24.007 1.00 0.00 H new ATOM 201 N ARG A 115 -35.336 20.594 23.302 1.00 0.00 N ATOM 202 CA ARG A 115 -36.111 19.727 22.366 1.00 0.00 C ATOM 203 C ARG A 115 -35.274 18.504 21.985 1.00 0.00 C ATOM 204 O ARG A 115 -34.058 18.534 22.034 1.00 0.00 O ATOM 205 CB ARG A 115 -36.459 20.521 21.103 1.00 0.00 C ATOM 206 CG ARG A 115 -37.153 21.828 21.492 1.00 0.00 C ATOM 207 CD ARG A 115 -38.575 21.530 21.972 1.00 0.00 C ATOM 208 NE ARG A 115 -39.491 21.461 20.800 1.00 0.00 N ATOM 209 CZ ARG A 115 -40.569 20.727 20.856 1.00 0.00 C ATOM 210 NH1 ARG A 115 -41.640 21.185 21.444 1.00 0.00 N ATOM 211 NH2 ARG A 115 -40.576 19.535 20.325 1.00 0.00 N ATOM 0 H ARG A 115 -34.439 20.922 22.945 1.00 0.00 H new ATOM 0 HA ARG A 115 -37.029 19.399 22.854 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -35.554 20.734 20.534 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -37.109 19.930 20.458 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -36.590 22.330 22.279 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -37.181 22.505 20.638 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -38.595 20.587 22.519 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -38.907 22.306 22.662 1.00 0.00 H new ATOM 0 HE ARG A 115 -39.276 21.987 19.953 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -41.635 22.116 21.860 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -42.482 20.612 21.488 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -39.739 19.176 19.866 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -41.419 18.962 20.369 1.00 0.00 H new ATOM 225 N GLN A 116 -35.920 17.431 21.605 1.00 0.00 N ATOM 226 CA GLN A 116 -35.174 16.197 21.217 1.00 0.00 C ATOM 227 C GLN A 116 -34.562 16.371 19.822 1.00 0.00 C ATOM 228 O GLN A 116 -33.636 15.672 19.460 1.00 0.00 O ATOM 229 CB GLN A 116 -36.135 15.007 21.202 1.00 0.00 C ATOM 230 CG GLN A 116 -35.333 13.706 21.120 1.00 0.00 C ATOM 231 CD GLN A 116 -34.983 13.231 22.532 1.00 0.00 C ATOM 232 OE1 GLN A 116 -33.955 13.594 23.070 1.00 0.00 O ATOM 233 NE2 GLN A 116 -35.799 12.429 23.158 1.00 0.00 N ATOM 0 H GLN A 116 -36.936 17.357 21.547 1.00 0.00 H new ATOM 0 HA GLN A 116 -34.377 16.020 21.939 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -36.751 15.011 22.102 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -36.813 15.083 20.352 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -35.912 12.942 20.601 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -34.422 13.864 20.542 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -36.661 12.125 22.706 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -35.575 12.106 24.099 1.00 0.00 H new ATOM 242 N GLU A 117 -35.072 17.288 19.036 1.00 0.00 N ATOM 243 CA GLU A 117 -34.517 17.499 17.667 1.00 0.00 C ATOM 244 C GLU A 117 -33.061 17.958 17.767 1.00 0.00 C ATOM 245 O GLU A 117 -32.186 17.419 17.115 1.00 0.00 O ATOM 246 CB GLU A 117 -35.341 18.566 16.942 1.00 0.00 C ATOM 247 CG GLU A 117 -34.874 18.672 15.489 1.00 0.00 C ATOM 248 CD GLU A 117 -35.290 20.028 14.917 1.00 0.00 C ATOM 249 OE1 GLU A 117 -36.374 20.480 15.246 1.00 0.00 O ATOM 250 OE2 GLU A 117 -34.517 20.591 14.158 1.00 0.00 O ATOM 0 H GLU A 117 -35.850 17.899 19.286 1.00 0.00 H new ATOM 0 HA GLU A 117 -34.562 16.563 17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -36.400 18.309 16.977 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.230 19.528 17.442 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -33.791 18.559 15.435 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -35.308 17.867 14.897 1.00 0.00 H new ATOM 257 N HIS A 118 -32.798 18.952 18.577 1.00 0.00 N ATOM 258 CA HIS A 118 -31.399 19.455 18.724 1.00 0.00 C ATOM 259 C HIS A 118 -30.536 18.385 19.397 1.00 0.00 C ATOM 260 O HIS A 118 -29.369 18.234 19.088 1.00 0.00 O ATOM 261 CB HIS A 118 -31.402 20.721 19.584 1.00 0.00 C ATOM 262 CG HIS A 118 -32.029 21.849 18.812 1.00 0.00 C ATOM 263 ND1 HIS A 118 -33.298 22.327 19.101 1.00 0.00 N ATOM 264 CD2 HIS A 118 -31.576 22.604 17.758 1.00 0.00 C ATOM 265 CE1 HIS A 118 -33.561 23.326 18.239 1.00 0.00 C ATOM 266 NE2 HIS A 118 -32.545 23.536 17.398 1.00 0.00 N ATOM 0 H HIS A 118 -33.493 19.438 19.144 1.00 0.00 H new ATOM 0 HA HIS A 118 -30.991 19.682 17.739 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -31.955 20.546 20.507 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -30.383 20.983 19.868 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -30.614 22.492 17.281 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -34.482 23.890 18.228 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -32.491 24.230 16.652 1.00 0.00 H new ATOM 274 N LEU A 119 -31.102 17.645 20.315 1.00 0.00 N ATOM 275 CA LEU A 119 -30.329 16.586 21.017 1.00 0.00 C ATOM 276 C LEU A 119 -29.925 15.494 20.023 1.00 0.00 C ATOM 277 O LEU A 119 -28.925 14.826 20.200 1.00 0.00 O ATOM 278 CB LEU A 119 -31.203 15.974 22.115 1.00 0.00 C ATOM 279 CG LEU A 119 -30.331 15.571 23.306 1.00 0.00 C ATOM 280 CD1 LEU A 119 -31.218 15.038 24.433 1.00 0.00 C ATOM 281 CD2 LEU A 119 -29.353 14.480 22.870 1.00 0.00 C ATOM 0 H LEU A 119 -32.075 17.732 20.608 1.00 0.00 H new ATOM 0 HA LEU A 119 -29.431 17.021 21.456 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -31.960 16.691 22.433 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -31.732 15.103 21.728 1.00 0.00 H new ATOM 0 HG LEU A 119 -29.777 16.439 23.662 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -30.596 14.751 25.281 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -31.918 15.814 24.743 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -31.773 14.169 24.079 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -28.730 14.190 23.716 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -29.910 13.613 22.516 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -28.721 14.858 22.067 1.00 0.00 H new ATOM 293 N LYS A 120 -30.698 15.304 18.982 1.00 0.00 N ATOM 294 CA LYS A 120 -30.365 14.249 17.976 1.00 0.00 C ATOM 295 C LYS A 120 -28.969 14.504 17.395 1.00 0.00 C ATOM 296 O LYS A 120 -28.206 13.584 17.168 1.00 0.00 O ATOM 297 CB LYS A 120 -31.399 14.273 16.847 1.00 0.00 C ATOM 298 CG LYS A 120 -32.660 13.509 17.278 1.00 0.00 C ATOM 299 CD LYS A 120 -33.112 12.571 16.154 1.00 0.00 C ATOM 300 CE LYS A 120 -33.533 13.395 14.934 1.00 0.00 C ATOM 301 NZ LYS A 120 -34.549 14.405 15.342 1.00 0.00 N ATOM 0 H LYS A 120 -31.546 15.835 18.786 1.00 0.00 H new ATOM 0 HA LYS A 120 -30.379 13.274 18.463 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -31.654 15.303 16.598 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -30.979 13.822 15.948 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -32.457 12.935 18.182 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -33.457 14.212 17.519 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -32.302 11.893 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -33.944 11.955 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -32.665 13.892 14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -33.944 12.741 14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -35.265 14.499 14.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -35.008 14.099 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -34.084 15.323 15.494 1.00 0.00 H new ATOM 315 N ARG A 121 -28.634 15.747 17.161 1.00 0.00 N ATOM 316 CA ARG A 121 -27.289 16.072 16.603 1.00 0.00 C ATOM 317 C ARG A 121 -26.242 15.989 17.716 1.00 0.00 C ATOM 318 O ARG A 121 -25.090 15.682 17.475 1.00 0.00 O ATOM 319 CB ARG A 121 -27.305 17.488 16.021 1.00 0.00 C ATOM 320 CG ARG A 121 -27.610 17.422 14.524 1.00 0.00 C ATOM 321 CD ARG A 121 -26.885 18.561 13.804 1.00 0.00 C ATOM 322 NE ARG A 121 -26.536 18.132 12.420 1.00 0.00 N ATOM 323 CZ ARG A 121 -25.512 18.664 11.812 1.00 0.00 C ATOM 324 NH1 ARG A 121 -25.375 19.962 11.777 1.00 0.00 N ATOM 325 NH2 ARG A 121 -24.623 17.899 11.239 1.00 0.00 N ATOM 0 H ARG A 121 -29.236 16.552 17.333 1.00 0.00 H new ATOM 0 HA ARG A 121 -27.041 15.360 15.816 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -28.056 18.093 16.529 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -26.342 17.971 16.186 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -27.292 16.461 14.119 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -28.685 17.498 14.357 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -27.519 19.447 13.772 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -25.982 18.834 14.350 1.00 0.00 H new ATOM 0 HE ARG A 121 -27.098 17.423 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -26.069 20.560 12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.574 20.378 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.729 16.885 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.822 18.315 10.764 1.00 0.00 H new ATOM 339 N HIS A 122 -26.638 16.261 18.934 1.00 0.00 N ATOM 340 CA HIS A 122 -25.677 16.203 20.073 1.00 0.00 C ATOM 341 C HIS A 122 -25.336 14.731 20.380 1.00 0.00 C ATOM 342 O HIS A 122 -24.331 14.444 21.004 1.00 0.00 O ATOM 343 CB HIS A 122 -26.321 16.878 21.301 1.00 0.00 C ATOM 344 CG HIS A 122 -25.474 16.673 22.534 1.00 0.00 C ATOM 345 ND1 HIS A 122 -24.362 17.455 22.809 1.00 0.00 N ATOM 346 CD2 HIS A 122 -25.567 15.777 23.571 1.00 0.00 C ATOM 347 CE1 HIS A 122 -23.837 17.019 23.968 1.00 0.00 C ATOM 348 NE2 HIS A 122 -24.532 15.997 24.475 1.00 0.00 N ATOM 0 H HIS A 122 -27.591 16.522 19.188 1.00 0.00 H new ATOM 0 HA HIS A 122 -24.756 16.727 19.819 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -26.444 17.945 21.112 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -27.317 16.467 21.466 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -26.328 15.017 23.670 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -22.960 17.444 24.433 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -24.344 15.488 25.339 1.00 0.00 H new ATOM 356 N TYR A 123 -26.161 13.801 19.954 1.00 0.00 N ATOM 357 CA TYR A 123 -25.877 12.361 20.231 1.00 0.00 C ATOM 358 C TYR A 123 -25.144 11.731 19.039 1.00 0.00 C ATOM 359 O TYR A 123 -25.178 10.529 18.851 1.00 0.00 O ATOM 360 CB TYR A 123 -27.194 11.618 20.468 1.00 0.00 C ATOM 361 CG TYR A 123 -26.921 10.330 21.208 1.00 0.00 C ATOM 362 CD1 TYR A 123 -26.330 10.364 22.477 1.00 0.00 C ATOM 363 CD2 TYR A 123 -27.260 9.102 20.627 1.00 0.00 C ATOM 364 CE1 TYR A 123 -26.078 9.171 23.164 1.00 0.00 C ATOM 365 CE2 TYR A 123 -27.008 7.909 21.314 1.00 0.00 C ATOM 366 CZ TYR A 123 -26.418 7.943 22.582 1.00 0.00 C ATOM 367 OH TYR A 123 -26.170 6.767 23.261 1.00 0.00 O ATOM 0 H TYR A 123 -27.016 13.980 19.428 1.00 0.00 H new ATOM 0 HA TYR A 123 -25.248 12.286 21.118 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -27.877 12.242 21.044 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -27.681 11.406 19.516 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -26.069 11.311 22.926 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -27.716 9.075 19.648 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -25.622 9.197 24.142 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -27.269 6.962 20.865 1.00 0.00 H new ATOM 0 HH TYR A 123 -26.466 6.007 22.718 1.00 0.00 H new ATOM 377 N ARG A 124 -24.476 12.529 18.241 1.00 0.00 N ATOM 378 CA ARG A 124 -23.733 11.973 17.071 1.00 0.00 C ATOM 379 C ARG A 124 -22.223 11.994 17.349 1.00 0.00 C ATOM 380 O ARG A 124 -21.422 11.823 16.449 1.00 0.00 O ATOM 381 CB ARG A 124 -24.032 12.823 15.834 1.00 0.00 C ATOM 382 CG ARG A 124 -25.192 12.200 15.054 1.00 0.00 C ATOM 383 CD ARG A 124 -25.986 13.301 14.349 1.00 0.00 C ATOM 384 NE ARG A 124 -26.495 12.790 13.045 1.00 0.00 N ATOM 385 CZ ARG A 124 -26.154 13.382 11.933 1.00 0.00 C ATOM 386 NH1 ARG A 124 -24.892 13.511 11.624 1.00 0.00 N ATOM 387 NH2 ARG A 124 -27.072 13.844 11.131 1.00 0.00 N ATOM 0 H ARG A 124 -24.414 13.541 18.351 1.00 0.00 H new ATOM 0 HA ARG A 124 -24.050 10.944 16.900 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -24.285 13.841 16.132 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -23.147 12.887 15.201 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -24.811 11.487 14.323 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -25.842 11.645 15.731 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -26.818 13.622 14.976 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -25.353 14.174 14.188 1.00 0.00 H new ATOM 0 HE ARG A 124 -27.110 11.977 13.021 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -24.174 13.149 12.251 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -24.624 13.973 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -28.058 13.743 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -26.804 14.307 10.262 1.00 0.00 H new ATOM 401 N SER A 125 -21.827 12.196 18.585 1.00 0.00 N ATOM 402 CA SER A 125 -20.373 12.223 18.915 1.00 0.00 C ATOM 403 C SER A 125 -20.151 11.580 20.287 1.00 0.00 C ATOM 404 O SER A 125 -19.227 11.922 21.000 1.00 0.00 O ATOM 405 CB SER A 125 -19.884 13.671 18.947 1.00 0.00 C ATOM 406 OG SER A 125 -20.949 14.518 19.361 1.00 0.00 O ATOM 0 H SER A 125 -22.452 12.343 19.377 1.00 0.00 H new ATOM 0 HA SER A 125 -19.818 11.669 18.158 1.00 0.00 H new ATOM 0 HB2 SER A 125 -19.041 13.767 19.631 1.00 0.00 H new ATOM 0 HB3 SER A 125 -19.530 13.969 17.960 1.00 0.00 H new ATOM 0 HG SER A 125 -20.638 15.447 19.384 1.00 0.00 H new ATOM 412 N HIS A 126 -20.994 10.647 20.657 1.00 0.00 N ATOM 413 CA HIS A 126 -20.843 9.970 21.979 1.00 0.00 C ATOM 414 C HIS A 126 -20.639 8.473 21.754 1.00 0.00 C ATOM 415 O HIS A 126 -19.758 7.863 22.331 1.00 0.00 O ATOM 416 CB HIS A 126 -22.107 10.188 22.811 1.00 0.00 C ATOM 417 CG HIS A 126 -22.144 11.604 23.317 1.00 0.00 C ATOM 418 ND1 HIS A 126 -21.063 12.189 23.956 1.00 0.00 N ATOM 419 CD2 HIS A 126 -23.129 12.560 23.294 1.00 0.00 C ATOM 420 CE1 HIS A 126 -21.420 13.444 24.288 1.00 0.00 C ATOM 421 NE2 HIS A 126 -22.670 13.721 23.908 1.00 0.00 N ATOM 0 H HIS A 126 -21.783 10.325 20.096 1.00 0.00 H new ATOM 0 HA HIS A 126 -19.985 10.385 22.507 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -22.991 9.985 22.207 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -22.127 9.492 23.649 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -24.111 12.430 22.864 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -20.774 14.142 24.800 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -23.179 14.595 24.040 1.00 0.00 H new ATOM 508 N TYR A 132 -12.188 6.670 13.235 1.00 0.00 N ATOM 509 CA TYR A 132 -11.188 5.704 12.688 1.00 0.00 C ATOM 510 C TYR A 132 -11.423 4.311 13.302 1.00 0.00 C ATOM 511 O TYR A 132 -10.695 3.901 14.185 1.00 0.00 O ATOM 512 CB TYR A 132 -9.776 6.193 13.024 1.00 0.00 C ATOM 513 CG TYR A 132 -9.506 7.483 12.285 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.178 7.454 10.924 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.587 8.708 12.959 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.931 8.648 10.237 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.341 9.903 12.272 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.013 9.874 10.910 1.00 0.00 C ATOM 519 OH TYR A 132 -8.771 11.052 10.233 1.00 0.00 O ATOM 0 HA TYR A 132 -11.298 5.636 11.606 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.679 6.349 14.098 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.041 5.439 12.743 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.116 6.509 10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.839 8.731 14.009 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.677 8.624 9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.404 10.847 12.792 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.871 11.809 10.847 1.00 0.00 H new ATOM 529 N PRO A 133 -12.435 3.610 12.819 1.00 0.00 N ATOM 530 CA PRO A 133 -12.761 2.261 13.317 1.00 0.00 C ATOM 531 C PRO A 133 -11.776 1.223 12.766 1.00 0.00 C ATOM 532 O PRO A 133 -11.638 1.061 11.568 1.00 0.00 O ATOM 533 CB PRO A 133 -14.175 2.006 12.787 1.00 0.00 C ATOM 534 CG PRO A 133 -14.360 2.944 11.572 1.00 0.00 C ATOM 535 CD PRO A 133 -13.342 4.085 11.742 1.00 0.00 C ATOM 0 HA PRO A 133 -12.699 2.187 14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.298 0.963 12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.921 2.213 13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.189 2.408 10.638 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.377 3.334 11.534 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.797 4.273 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.833 5.018 12.018 1.00 0.00 H new ATOM 543 N CYS A 134 -11.097 0.518 13.636 1.00 0.00 N ATOM 544 CA CYS A 134 -10.122 -0.517 13.181 1.00 0.00 C ATOM 545 C CYS A 134 -10.860 -1.597 12.383 1.00 0.00 C ATOM 546 O CYS A 134 -11.952 -2.001 12.734 1.00 0.00 O ATOM 547 CB CYS A 134 -9.453 -1.152 14.405 1.00 0.00 C ATOM 548 SG CYS A 134 -8.141 -2.282 13.875 1.00 0.00 S ATOM 0 H CYS A 134 -11.178 0.617 14.648 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.364 -0.055 12.549 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.038 -0.375 15.047 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.193 -1.692 14.995 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.966 -3.199 14.780 1.00 0.00 H new ATOM 553 N GLY A 135 -10.269 -2.064 11.312 1.00 0.00 N ATOM 554 CA GLY A 135 -10.929 -3.118 10.485 1.00 0.00 C ATOM 555 C GLY A 135 -10.373 -4.492 10.861 1.00 0.00 C ATOM 556 O GLY A 135 -10.341 -5.399 10.050 1.00 0.00 O ATOM 0 H GLY A 135 -9.356 -1.760 10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.007 -3.096 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.758 -2.923 9.426 1.00 0.00 H new ATOM 560 N LEU A 136 -9.936 -4.654 12.086 1.00 0.00 N ATOM 561 CA LEU A 136 -9.380 -5.972 12.520 1.00 0.00 C ATOM 562 C LEU A 136 -9.946 -6.332 13.896 1.00 0.00 C ATOM 563 O LEU A 136 -10.367 -7.449 14.130 1.00 0.00 O ATOM 564 CB LEU A 136 -7.849 -5.892 12.606 1.00 0.00 C ATOM 565 CG LEU A 136 -7.283 -5.208 11.355 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.781 -4.984 11.530 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.523 -6.092 10.129 1.00 0.00 C ATOM 0 H LEU A 136 -9.941 -3.930 12.804 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.659 -6.735 11.794 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.556 -5.337 13.497 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.430 -6.894 12.703 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.782 -4.249 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.380 -4.498 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.606 -4.351 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.284 -5.944 11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.119 -5.602 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.027 -7.052 10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.593 -6.252 10.000 1.00 0.00 H new ATOM 579 N CYS A 137 -9.957 -5.390 14.804 1.00 0.00 N ATOM 580 CA CYS A 137 -10.494 -5.663 16.173 1.00 0.00 C ATOM 581 C CYS A 137 -11.886 -5.036 16.342 1.00 0.00 C ATOM 582 O CYS A 137 -12.575 -5.303 17.308 1.00 0.00 O ATOM 583 CB CYS A 137 -9.537 -5.076 17.215 1.00 0.00 C ATOM 584 SG CYS A 137 -9.333 -3.295 16.945 1.00 0.00 S ATOM 0 H CYS A 137 -9.616 -4.440 14.656 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.580 -6.741 16.311 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.924 -5.257 18.218 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.569 -5.574 17.152 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.073 -3.023 16.777 1.00 0.00 H new ATOM 589 N ASN A 138 -12.301 -4.199 15.419 1.00 0.00 N ATOM 590 CA ASN A 138 -13.646 -3.540 15.515 1.00 0.00 C ATOM 591 C ASN A 138 -13.622 -2.487 16.625 1.00 0.00 C ATOM 592 O ASN A 138 -14.594 -2.292 17.332 1.00 0.00 O ATOM 593 CB ASN A 138 -14.751 -4.571 15.807 1.00 0.00 C ATOM 594 CG ASN A 138 -14.577 -5.792 14.899 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.732 -6.915 15.334 1.00 0.00 O ATOM 596 ND2 ASN A 138 -14.258 -5.616 13.646 1.00 0.00 N ATOM 0 H ASN A 138 -11.759 -3.941 14.594 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.864 -3.067 14.558 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.709 -4.876 16.853 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.731 -4.123 15.644 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -14.139 -6.422 13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -14.128 -4.673 13.281 1.00 0.00 H new ATOM 603 N ARG A 139 -12.519 -1.800 16.773 1.00 0.00 N ATOM 604 CA ARG A 139 -12.415 -0.744 17.822 1.00 0.00 C ATOM 605 C ARG A 139 -12.567 0.626 17.153 1.00 0.00 C ATOM 606 O ARG A 139 -12.961 0.713 16.006 1.00 0.00 O ATOM 607 CB ARG A 139 -11.048 -0.847 18.508 1.00 0.00 C ATOM 608 CG ARG A 139 -11.017 -2.092 19.397 1.00 0.00 C ATOM 609 CD ARG A 139 -9.629 -2.238 20.024 1.00 0.00 C ATOM 610 NE ARG A 139 -9.469 -3.619 20.562 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.285 -3.804 21.840 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.239 -3.294 22.430 1.00 0.00 N ATOM 613 NH2 ARG A 139 -10.149 -4.500 22.529 1.00 0.00 N ATOM 0 H ARG A 139 -11.680 -1.927 16.207 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.197 -0.873 18.571 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.257 -0.901 17.760 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.861 0.045 19.106 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.774 -2.013 20.178 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.257 -2.978 18.809 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.859 -2.035 19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.501 -1.508 20.823 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.503 -4.419 19.931 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.564 -2.750 21.892 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.096 -3.439 23.429 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.967 -4.898 22.068 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.006 -4.645 23.528 1.00 0.00 H new ATOM 627 N ALA A 140 -12.269 1.696 17.853 1.00 0.00 N ATOM 628 CA ALA A 140 -12.406 3.053 17.243 1.00 0.00 C ATOM 629 C ALA A 140 -11.338 3.991 17.811 1.00 0.00 C ATOM 630 O ALA A 140 -10.955 3.886 18.961 1.00 0.00 O ATOM 631 CB ALA A 140 -13.795 3.610 17.554 1.00 0.00 C ATOM 0 H ALA A 140 -11.938 1.686 18.818 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.275 2.977 16.164 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.898 4.600 17.110 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.554 2.946 17.140 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.925 3.681 18.634 1.00 0.00 H new ATOM 637 N PHE A 141 -10.860 4.912 17.009 1.00 0.00 N ATOM 638 CA PHE A 141 -9.819 5.868 17.491 1.00 0.00 C ATOM 639 C PHE A 141 -10.207 7.292 17.085 1.00 0.00 C ATOM 640 O PHE A 141 -11.190 7.503 16.399 1.00 0.00 O ATOM 641 CB PHE A 141 -8.465 5.509 16.874 1.00 0.00 C ATOM 642 CG PHE A 141 -8.055 4.127 17.328 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.367 3.962 18.536 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.364 3.013 16.541 1.00 0.00 C ATOM 645 CE1 PHE A 141 -6.988 2.682 18.957 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.986 1.732 16.961 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.297 1.567 18.169 1.00 0.00 C ATOM 0 H PHE A 141 -11.148 5.041 16.039 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.747 5.807 18.577 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.529 5.542 15.786 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.713 6.239 17.172 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.129 4.823 19.143 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.894 3.141 15.609 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.458 2.555 19.889 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.226 0.872 16.354 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.004 0.579 18.493 1.00 0.00 H new ATOM 657 N THR A 142 -9.448 8.271 17.511 1.00 0.00 N ATOM 658 CA THR A 142 -9.776 9.686 17.163 1.00 0.00 C ATOM 659 C THR A 142 -8.944 10.138 15.960 1.00 0.00 C ATOM 660 O THR A 142 -9.462 10.721 15.026 1.00 0.00 O ATOM 661 CB THR A 142 -9.470 10.587 18.361 1.00 0.00 C ATOM 662 OG1 THR A 142 -8.079 10.538 18.646 1.00 0.00 O ATOM 663 CG2 THR A 142 -10.259 10.105 19.580 1.00 0.00 C ATOM 0 H THR A 142 -8.614 8.150 18.086 1.00 0.00 H new ATOM 0 HA THR A 142 -10.834 9.755 16.910 1.00 0.00 H new ATOM 0 HB THR A 142 -9.758 11.612 18.127 1.00 0.00 H new ATOM 0 HG1 THR A 142 -7.882 11.116 19.412 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.040 10.748 20.433 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.326 10.144 19.361 1.00 0.00 H new ATOM 0 HG23 THR A 142 -9.974 9.080 19.816 1.00 0.00 H new ATOM 671 N ARG A 143 -7.660 9.884 15.979 1.00 0.00 N ATOM 672 CA ARG A 143 -6.791 10.310 14.841 1.00 0.00 C ATOM 673 C ARG A 143 -6.506 9.114 13.927 1.00 0.00 C ATOM 674 O ARG A 143 -6.625 7.972 14.329 1.00 0.00 O ATOM 675 CB ARG A 143 -5.470 10.860 15.384 1.00 0.00 C ATOM 676 CG ARG A 143 -5.648 12.330 15.766 1.00 0.00 C ATOM 677 CD ARG A 143 -5.366 13.213 14.548 1.00 0.00 C ATOM 678 NE ARG A 143 -3.895 13.390 14.393 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.218 14.048 15.293 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.557 15.270 15.600 1.00 0.00 N ATOM 681 NH2 ARG A 143 -2.202 13.484 15.888 1.00 0.00 N ATOM 0 H ARG A 143 -7.176 9.399 16.735 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.304 11.085 14.271 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.154 10.283 16.253 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.686 10.761 14.633 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.662 12.503 16.126 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -4.972 12.589 16.581 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.785 12.758 13.651 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.849 14.183 14.669 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.417 12.996 13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -4.351 15.711 15.136 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.028 15.785 16.304 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.937 12.528 15.649 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.673 13.999 16.592 1.00 0.00 H new ATOM 695 N ARG A 144 -6.127 9.375 12.701 1.00 0.00 N ATOM 696 CA ARG A 144 -5.826 8.267 11.750 1.00 0.00 C ATOM 697 C ARG A 144 -4.468 7.656 12.097 1.00 0.00 C ATOM 698 O ARG A 144 -4.279 6.457 12.021 1.00 0.00 O ATOM 699 CB ARG A 144 -5.788 8.816 10.322 1.00 0.00 C ATOM 700 CG ARG A 144 -5.956 7.666 9.327 1.00 0.00 C ATOM 701 CD ARG A 144 -5.178 7.979 8.047 1.00 0.00 C ATOM 702 NE ARG A 144 -5.878 7.373 6.880 1.00 0.00 N ATOM 703 CZ ARG A 144 -5.585 6.160 6.500 1.00 0.00 C ATOM 704 NH1 ARG A 144 -5.915 5.144 7.250 1.00 0.00 N ATOM 705 NH2 ARG A 144 -4.961 5.962 5.371 1.00 0.00 N ATOM 0 H ARG A 144 -6.013 10.314 12.318 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.600 7.503 11.824 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.581 9.550 10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.843 9.330 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -5.595 6.736 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -7.012 7.521 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.094 9.058 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.164 7.587 8.120 1.00 0.00 H new ATOM 0 HE ARG A 144 -6.587 7.907 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.402 5.299 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -5.686 4.195 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -4.702 6.756 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -4.732 5.013 5.074 1.00 0.00 H new ATOM 719 N ASP A 145 -3.521 8.477 12.482 1.00 0.00 N ATOM 720 CA ASP A 145 -2.168 7.956 12.843 1.00 0.00 C ATOM 721 C ASP A 145 -2.292 7.009 14.039 1.00 0.00 C ATOM 722 O ASP A 145 -1.539 6.064 14.174 1.00 0.00 O ATOM 723 CB ASP A 145 -1.252 9.126 13.211 1.00 0.00 C ATOM 724 CG ASP A 145 -1.914 9.972 14.299 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.858 9.571 15.450 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.469 11.006 13.964 1.00 0.00 O ATOM 0 H ASP A 145 -3.629 9.488 12.562 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.746 7.418 11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.290 8.752 13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.054 9.737 12.331 1.00 0.00 H new ATOM 731 N LEU A 146 -3.244 7.258 14.900 1.00 0.00 N ATOM 732 CA LEU A 146 -3.437 6.379 16.090 1.00 0.00 C ATOM 733 C LEU A 146 -3.821 4.975 15.628 1.00 0.00 C ATOM 734 O LEU A 146 -3.238 3.993 16.047 1.00 0.00 O ATOM 735 CB LEU A 146 -4.557 6.947 16.961 1.00 0.00 C ATOM 736 CG LEU A 146 -3.967 7.908 17.994 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.096 8.689 18.666 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.199 7.111 19.051 1.00 0.00 C ATOM 0 H LEU A 146 -3.899 8.037 14.829 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.511 6.334 16.664 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.286 7.468 16.340 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.087 6.138 17.463 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.289 8.603 17.499 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.676 9.374 19.402 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.644 9.256 17.914 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.774 7.994 19.162 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.778 7.795 19.788 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.877 6.416 19.547 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.394 6.553 18.572 1.00 0.00 H new ATOM 750 N LEU A 147 -4.804 4.875 14.772 1.00 0.00 N ATOM 751 CA LEU A 147 -5.252 3.538 14.273 1.00 0.00 C ATOM 752 C LEU A 147 -4.080 2.793 13.626 1.00 0.00 C ATOM 753 O LEU A 147 -3.968 1.586 13.743 1.00 0.00 O ATOM 754 CB LEU A 147 -6.362 3.725 13.237 1.00 0.00 C ATOM 755 CG LEU A 147 -7.014 2.372 12.944 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.501 2.576 12.650 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.337 1.728 11.730 1.00 0.00 C ATOM 0 H LEU A 147 -5.321 5.669 14.393 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.625 2.955 15.115 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.108 4.428 13.609 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.952 4.150 12.321 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.900 1.720 13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.966 1.613 12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.984 3.032 13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.615 3.229 11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.802 0.764 11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.449 2.379 10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.277 1.582 11.939 1.00 0.00 H new ATOM 769 N ILE A 148 -3.212 3.496 12.941 1.00 0.00 N ATOM 770 CA ILE A 148 -2.054 2.818 12.286 1.00 0.00 C ATOM 771 C ILE A 148 -1.155 2.201 13.360 1.00 0.00 C ATOM 772 O ILE A 148 -0.758 1.059 13.258 1.00 0.00 O ATOM 773 CB ILE A 148 -1.253 3.832 11.459 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.178 4.499 10.436 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.121 3.108 10.723 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.418 5.611 9.710 1.00 0.00 C ATOM 0 H ILE A 148 -3.256 4.506 12.808 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.422 2.034 11.624 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.833 4.590 12.120 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.537 3.761 9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.055 4.910 10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.449 3.827 10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.537 2.630 11.448 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.543 2.351 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.076 6.086 8.982 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.081 6.354 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.555 5.187 9.197 1.00 0.00 H new ATOM 788 N ARG A 149 -0.835 2.949 14.385 1.00 0.00 N ATOM 789 CA ARG A 149 0.036 2.410 15.472 1.00 0.00 C ATOM 790 C ARG A 149 -0.666 1.230 16.154 1.00 0.00 C ATOM 791 O ARG A 149 -0.029 0.347 16.697 1.00 0.00 O ATOM 792 CB ARG A 149 0.304 3.513 16.502 1.00 0.00 C ATOM 793 CG ARG A 149 1.293 3.006 17.557 1.00 0.00 C ATOM 794 CD ARG A 149 0.526 2.535 18.795 1.00 0.00 C ATOM 795 NE ARG A 149 1.438 2.531 19.973 1.00 0.00 N ATOM 796 CZ ARG A 149 0.952 2.674 21.176 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.255 1.712 21.715 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.161 3.779 21.838 1.00 0.00 N ATOM 0 H ARG A 149 -1.141 3.913 14.516 1.00 0.00 H new ATOM 0 HA ARG A 149 0.981 2.071 15.048 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.707 4.396 16.007 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.629 3.813 16.979 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.886 2.187 17.150 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.990 3.799 17.828 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.323 3.192 18.982 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.125 1.535 18.629 1.00 0.00 H new ATOM 0 HE ARG A 149 2.443 2.416 19.839 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.090 0.849 21.196 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.125 1.823 22.655 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.704 4.532 21.415 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.781 3.890 22.778 1.00 0.00 H new ATOM 812 N HIS A 150 -1.975 1.212 16.129 1.00 0.00 N ATOM 813 CA HIS A 150 -2.734 0.099 16.770 1.00 0.00 C ATOM 814 C HIS A 150 -2.484 -1.201 15.988 1.00 0.00 C ATOM 815 O HIS A 150 -2.177 -2.227 16.563 1.00 0.00 O ATOM 816 CB HIS A 150 -4.235 0.468 16.768 1.00 0.00 C ATOM 817 CG HIS A 150 -5.098 -0.737 17.063 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.404 -1.138 18.354 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.716 -1.639 16.235 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.175 -2.239 18.263 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.395 -2.586 16.993 1.00 0.00 N ATOM 0 H HIS A 150 -2.553 1.927 15.688 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.406 -0.053 17.798 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.422 1.243 17.512 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.508 0.885 15.798 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -5.101 -0.683 19.215 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.680 -1.617 15.156 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.567 -2.776 19.114 1.00 0.00 H new ATOM 829 N ALA A 151 -2.632 -1.164 14.690 1.00 0.00 N ATOM 830 CA ALA A 151 -2.425 -2.396 13.875 1.00 0.00 C ATOM 831 C ALA A 151 -0.934 -2.735 13.776 1.00 0.00 C ATOM 832 O ALA A 151 -0.573 -3.857 13.487 1.00 0.00 O ATOM 833 CB ALA A 151 -2.991 -2.177 12.469 1.00 0.00 C ATOM 0 H ALA A 151 -2.888 -0.332 14.159 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.941 -3.225 14.359 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.841 -3.076 11.872 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.057 -1.960 12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.479 -1.338 11.997 1.00 0.00 H new ATOM 839 N GLN A 152 -0.064 -1.785 14.003 1.00 0.00 N ATOM 840 CA GLN A 152 1.399 -2.075 13.904 1.00 0.00 C ATOM 841 C GLN A 152 1.945 -2.546 15.260 1.00 0.00 C ATOM 842 O GLN A 152 3.022 -3.110 15.332 1.00 0.00 O ATOM 843 CB GLN A 152 2.151 -0.812 13.467 1.00 0.00 C ATOM 844 CG GLN A 152 1.472 -0.182 12.238 1.00 0.00 C ATOM 845 CD GLN A 152 2.368 -0.346 11.008 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.839 -1.429 10.724 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.623 0.693 10.259 1.00 0.00 N ATOM 0 H GLN A 152 -0.301 -0.825 14.252 1.00 0.00 H new ATOM 0 HA GLN A 152 1.546 -2.864 13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.174 -0.093 14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.186 -1.060 13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.507 -0.656 12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.279 0.875 12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 152 2.228 1.603 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.217 0.595 9.436 1.00 0.00 H new ATOM 856 N LYS A 153 1.224 -2.318 16.333 1.00 0.00 N ATOM 857 CA LYS A 153 1.716 -2.751 17.676 1.00 0.00 C ATOM 858 C LYS A 153 1.148 -4.129 18.027 1.00 0.00 C ATOM 859 O LYS A 153 1.869 -5.019 18.436 1.00 0.00 O ATOM 860 CB LYS A 153 1.270 -1.737 18.732 1.00 0.00 C ATOM 861 CG LYS A 153 2.200 -0.521 18.699 1.00 0.00 C ATOM 862 CD LYS A 153 3.440 -0.798 19.554 1.00 0.00 C ATOM 863 CE LYS A 153 4.592 -1.265 18.660 1.00 0.00 C ATOM 864 NZ LYS A 153 5.869 -0.672 19.145 1.00 0.00 N ATOM 0 H LYS A 153 0.317 -1.851 16.335 1.00 0.00 H new ATOM 0 HA LYS A 153 2.804 -2.808 17.653 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.242 -1.427 18.542 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.288 -2.195 19.721 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.495 -0.304 17.672 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.677 0.359 19.073 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.729 0.103 20.094 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.215 -1.559 20.301 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.657 -2.353 18.671 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.409 -0.967 17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.652 -0.989 18.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.804 0.365 19.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 6.044 -0.978 20.123 1.00 0.00 H new ATOM 878 N ILE A 154 -0.141 -4.308 17.880 1.00 0.00 N ATOM 879 CA ILE A 154 -0.764 -5.623 18.214 1.00 0.00 C ATOM 880 C ILE A 154 -0.844 -6.496 16.957 1.00 0.00 C ATOM 881 O ILE A 154 -0.210 -7.532 16.874 1.00 0.00 O ATOM 882 CB ILE A 154 -2.171 -5.393 18.773 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.092 -4.434 19.966 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.769 -6.724 19.236 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.187 -2.990 19.473 1.00 0.00 C ATOM 0 H ILE A 154 -0.790 -3.597 17.542 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.154 -6.131 18.961 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.802 -4.964 17.994 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.900 -4.643 20.667 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.156 -4.584 20.504 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.770 -6.555 19.633 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.825 -7.411 18.392 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.139 -7.155 20.014 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.131 -2.311 20.324 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.364 -2.784 18.789 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.135 -2.844 18.954 1.00 0.00 H new ATOM 897 N HIS A 155 -1.619 -6.090 15.981 1.00 0.00 N ATOM 898 CA HIS A 155 -1.743 -6.900 14.727 1.00 0.00 C ATOM 899 C HIS A 155 -0.361 -7.061 14.075 1.00 0.00 C ATOM 900 O HIS A 155 -0.106 -8.019 13.372 1.00 0.00 O ATOM 901 CB HIS A 155 -2.702 -6.203 13.756 1.00 0.00 C ATOM 902 CG HIS A 155 -4.004 -5.907 14.454 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.578 -6.791 15.354 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.855 -4.830 14.394 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.722 -6.235 15.796 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.938 -5.039 15.242 1.00 0.00 N ATOM 0 H HIS A 155 -2.171 -5.233 15.998 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.138 -7.886 14.972 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.256 -5.278 13.390 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -2.880 -6.837 12.887 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.202 -7.698 15.631 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.706 -3.953 13.781 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.384 -6.700 16.511 1.00 0.00 H new